3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol

C8H7ClN2O — CID 169484741

IUPAC3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol
SMILESNc1ncc(Cl)cc1C#CCO
InChIInChI=1S/C8H7ClN2O/c9-7-4-6(2-1-3-12)8(10)11-5-7/h4-5,12H,3H2,(H2,10,11)
InChIKeyDZJRJGBSIJRJLH-UHFFFAOYSA-N
MW182.61 g/mol
LogP0.66
Rot. Bonds

About 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol

3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol (PubChem CID 169484741) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol
PubChem CID169484741
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol
SMILESNc1ncc(Cl)cc1C#CCO
InChIInChI=1S/C8H7ClN2O/c9-7-4-6(2-1-3-12)8(10)11-5-7/h4-5,12H,3H2,(H2,10,11)
InChIKeyDZJRJGBSIJRJLH-UHFFFAOYSA-N
XLogP0.66
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
CID 169484738
3-[4-chloro-2-(hydroxymethyl)phenyl]prop-2-yn-1-ol
CID 169484914
3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]prop-2-yn-1-ol
CID 169485542
3-(2-amino-5-methyl-3-pyridinyl)prop-2-yne-1-thiol
CID 169486185
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-yn-1-ol
CID 169485449
3-chloro-N-(5-chloro-2-pyridinyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 81291280
3-(4-bromobut-1-ynyl)-2,5-dichloropyridine
CID 170465817
3-(4-amino-2-chloro-5-methylphenyl)prop-2-yn-1-ol
CID 169485013
3-[4-chloro-2-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 169485374
3-(1-chloroisoquinolin-4-yl)prop-2-yn-1-ol
CID 169485577
3-(4-chloro-2-nitrophenyl)prop-2-yn-1-ol
CID 169485317

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol?
The IUPAC name of 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol (CID 169484741) is 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol is Nc1ncc(Cl)cc1C#CCO.
What is the InChIKey of 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol?
The InChIKey is DZJRJGBSIJRJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-7-4-6(2-1-3-12)8(10)11-5-7/h4-5,12H,3H2,(H2,10,11).
What are the key properties of 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol?
3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol has a molecular weight of 182.61 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chloro-3-pyridinyl)prop-2-yn-1-ol is sourced from PubChem (CID 169484741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).